4QPW
 
 | | BiXyn10A CBM1 with Xylohexaose Bound | | Descriptor: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, glycosyl hydrolase family 10 | | Authors: | Chekan, J.R, Nair, S.K. | | Deposit date: | 2014-06-25 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8UAT
 | | Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex | | Descriptor: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
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8UAS
 | | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
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8UAR
 | | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | | Descriptor: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | Authors: | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | | Deposit date: | 2023-09-22 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
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3RWP
 | | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | | Authors: | Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. | | Deposit date: | 2011-05-09 | | Release date: | 2011-11-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
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3SC1
 | | Novel Isoquinolone PDK1 Inhibitors Discovered through Fragment-Based Lead Discovery | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, ... | | Authors: | Greasley, S.E, Ferre, R.-A, Krauss, M, Cronin, C. | | Deposit date: | 2011-06-06 | | Release date: | 2011-10-26 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
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4KBR
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8VTT
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8VTS
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4K84
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4QNZ
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3T0L
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4K80
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4KF6
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P) | | Descriptor: | (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-26 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.195 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4K85
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4K8N
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P) | | Descriptor: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-18 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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3T0M
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3U1Y
 | | Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections | | Descriptor: | (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Brown, M, Abramite, J, Liu, S. | | Deposit date: | 2011-09-30 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
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3PTY
 | | Crystal structure of the C-terminal extracellular domain of Mycobacterium tuberculosis EmbC | | Descriptor: | Arabinosyltransferase C, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Alderwick, L.J, Besra, G.S, Futterer, K. | | Deposit date: | 2010-12-03 | | Release date: | 2010-12-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The C-Terminal Domain of the Arabinosyltransferase Mycobacterium tuberculosis EmbC Is a Lectin-Like Carbohydrate Binding Module.
Plos Pathog., 7, 2011
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2DWT
 | | Cu-containing nitrite reductase at pH 6.0 with bound nitrite | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | Authors: | Jacobson, F. | | Deposit date: | 2006-08-17 | | Release date: | 2006-12-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | pH Dependence of Copper Geometry, Reduction Potential, and Nitrite Affinity in Nitrite Reductase
J.Biol.Chem., 282, 2007
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4NTO
 | | Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-12-02 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.152 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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4NT1
 | | Crystal structure of apo-form of Arabidopsis ACD11 (accelerated-cell-death 11) at 1.8 Angstrom resolution | | Descriptor: | SODIUM ION, accelerated-cell-death 11 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-11-29 | | Release date: | 2014-02-05 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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4NT2
 | | Crystal structure of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with lyso-sphingomyelin (d18:1) at 2.4 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, SULFATE ION, ... | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-11-29 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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4NTI
 | | Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 Angstrom resolution | | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-12-02 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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4FEH
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